2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide

C16H26N2O2 — CID 63325896

IUPAC2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide
SMILESCc1ccc(OC(C)C(=O)NC(C)C)c(CC(C)N)c1
InChIInChI=1S/C16H26N2O2/c1-10(2)18-16(19)13(5)20-15-7-6-11(3)8-14(15)9-12(4)17/h6-8,10,12-13H,9,17H2,1-5H3,(H,18,19)
InChIKeyKYHKEUIPICGNBQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.18
Rot. Bonds6

About 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide

2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide (PubChem CID 63325896) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide
PubChem CID63325896
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide
SMILESCc1ccc(OC(C)C(=O)NC(C)C)c(CC(C)N)c1
InChIInChI=1S/C16H26N2O2/c1-10(2)18-16(19)13(5)20-15-7-6-11(3)8-14(15)9-12(4)17/h6-8,10,12-13H,9,17H2,1-5H3,(H,18,19)
InChIKeyKYHKEUIPICGNBQ-UHFFFAOYSA-N
XLogP2.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopropyl)-4-methylphenoxy]-N-(2-methylpropyl)propanamide
CID 63325804
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide
CID 63367220
2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methylpropanamide
CID 54929525
2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid
CID 83048867
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide
CID 63326228
2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide
CID 63326039
ethyl 2-[2-(2-aminobutyl)-4-methylphenoxy]propanoate
CID 63326295
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide
CID 54929160
ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
CID 63326114
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-N-propan-2-ylpropanamide
CID 43504967
3-[2-(2-aminopropyl)-4-methylphenoxy]-N-methylpropanamide
CID 55200918
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide
CID 78936570

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide (CID 63325896) is 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide is Cc1ccc(OC(C)C(=O)NC(C)C)c(CC(C)N)c1.
What is the InChIKey of 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide?
The InChIKey is KYHKEUIPICGNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10(2)18-16(19)13(5)20-15-7-6-11(3)8-14(15)9-12(4)17/h6-8,10,12-13H,9,17H2,1-5H3,(H,18,19).
What are the key properties of 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide?
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-4-methylphenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 63325896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).